Materials Data on ZrTiNi2 by Materials Project

Abstract

ZrTiNi2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.72 Å. Ti is bonded in a 7-coordinate geometry to seven Ni atoms. There are six shorter (2.62 Å) and one longer (2.74 Å) Ti–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to four equivalent Zr and three equivalent Ti atoms. In the second Ni site, Ni is bonded in a 7-coordinate geometry to three equivalent Zr and four equivalent Ti atoms.